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Computational_Chemistry:
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['1 . XlogP 47 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 11 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 15 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 144 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance White to 类White 粉末。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3相对. Density(25℃,4℃)0845880 ', '4 . Melting point(ºC)41~42 ', '5 . Boiling point(ºC,Atmospheric pressure)236(133kpa) ', '6 . Boiling point(ºC,52kPa)Unknow ', '7常温. Refractive index(n25)1428660 ', '8 . Flash point(ºC)>110 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-81712 ', '10 气相标准声称热(焓)( kJ·mol-1) -6602 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-80679 ', '12 液相标准声称热(焓)( kJ·mol-1)-7635 ', '13 晶相相标准. Combustion heat(焓)(kJ·mol-1)-80248 ', '14 晶相标准声称热(焓)( kJ·mol-1)-8066 ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 微Soluble in Water 。']
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